Methyl nitrite
- Formula: CH3NO2
- Molecular weight: 61.0400
- IUPAC Standard InChIKey: BLLFVUPNHCTMSV-UHFFFAOYSA-N
- CAS Registry Number: 624-91-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Nitrous acid, methyl ester; CH3ONO; Methylester kyseliny dusite; Methyl ester of nitrous acid
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 190.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 183.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.44 | DER | Schroder, Sulzle, et al., 1994 | LL |
10.3 | PE | Ogden, Shaw, et al., 1983 | LBLHLM |
10.38 ± 0.03 | PIPECO | Gilman, Hsieh, et al., 1983 | LBLHLM |
10.38 | PIPECO | Gilman, Hsieh, et al., 1983, 2 | LBLHLM |
10.38 ± 0.03 | PI | Meisels, Hsieh, et al., 1980 | LLK |
11.0 | PE | Bergmann and Bock, 1975 | LLK |
10.475 ± 0.007 | PI | Nicholson, 1970 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3O+ | 10.82 ± 0.05 | NO | EI | Burgers and Holmes, 1984 | LBLHLM |
CH3O+ | 11.0 ± 0.2 | NO | EI | Burgers and Holmes, 1984 | LBLHLM |
CH3O+ | 10.69 ± 0.03 | NO | PIPECO | Gilman, Hsieh, et al., 1983 | LBLHLM |
CH3O+ | 10.69 | NO | PIPECO | Gilman, Hsieh, et al., 1983, 2 | LBLHLM |
CH3O+ | 10.96 | NO | EI | Haney and Franklin, 1969 | RDSH |
NO+ | 10.83 ± 0.04 | CH3O | PIPECO | Gilman, Hsieh, et al., 1983 | LBLHLM |
NO+ | 10.83 | CH3O | PIPECO | Gilman, Hsieh, et al., 1983, 2 | LBLHLM |
NO+ | 10.83 ± 0.04 | CH3O | PE | Meisels, Hsieh, et al., 1980 | LLK |
NO+ | 10.917 ± 0.008 | CH3O | PI | Nicholson, 1970 | RDSH |
NO+ | 11.15 | CH3O | EI | Haney and Franklin, 1969 | RDSH |
NO+ | 11.07 ± 0.06 | CH3O | EI | Martin, Lampe, et al., 1966 | RDSH |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 268. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Schroder, Sulzle, et al., 1994
Schroder, D.; Sulzle, D.; Dutuit, O.; Baer, T.; Schwarz, H.,
Further insight in the surprisingly complex unimolecular fragmentations of the methyl nitrite radical cation,
J. Am. Chem. Soc., 1994, 116, 6395. [all data]
Ogden, Shaw, et al., 1983
Ogden, I.K.; Shaw, N.; Danby, C.J.; Powis, I.,
Competing dissociation channels of nitromethane and methyl nitrite ions and the role of electronic and internal modes of excitation,
Int. J. Mass Spectrom. Ion Processes, 1983, 54, 41. [all data]
Gilman, Hsieh, et al., 1983
Gilman, J.P.; Hsieh, T.; Meisels, G.G.,
The unimolecular decomposition rates of energy selected methylnitrite and deuterated methylnitrite ions,
J. Chem. Phys., 1983, 78, 3767. [all data]
Gilman, Hsieh, et al., 1983, 2
Gilman, J.P.; Hsieh, T.; Meisels, G.G.,
Competition between isomerization and fragmentation of gaseous ions. II. Nitromethane and methylnitrite ions,
J. Chem. Phys., 1983, 78, 1174. [all data]
Meisels, Hsieh, et al., 1980
Meisels, G.G.; Hsieh, T.; Gilman, J.P.,
Ion fragmentation from noninterconverting electronic states,
J. Chem. Phys., 1980, 73, 4126. [all data]
Bergmann and Bock, 1975
Bergmann, H.; Bock, H.,
Photoelectron spectra molecular properties, XLVI nitroso compounds - electron-rich molecules,
Z. Naturforsch. B:, 1975, 30, 629. [all data]
Nicholson, 1970
Nicholson, A.J.C.,
Determination of bond dissociation energies from photoionization efficiency curves
in Recent Developments in Mass Spectrometroscopy, ed. K Ogata and T. Hayakawa, Univ. Park Press, Baltimore, MD, 1970, 745. [all data]
Burgers and Holmes, 1984
Burgers, P.C.; Holmes, J.L.,
The generation of triplet methoxy cations,
Org. Mass Spectrom., 1984, 19, 452. [all data]
Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L.,
Excess energies in mass spectra of some oxygen-containing organic compounds,
J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]
Martin, Lampe, et al., 1966
Martin, R.H.; Lampe, F.W.; Taft, R.W.,
An electron-impact study of ionization and dissociation in methoxy- and halogen- substituted methanes,
J. Am. Chem. Soc., 1966, 88, 1353. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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